3-oxo-2-propyl-1H-isoindole-4-carboxamide

C12H14N2O2 — CID 3238600

IUPAC3-oxo-2-propyl-1H-isoindole-4-carboxamide
SMILESCCCN1Cc2cccc(C(N)=O)c2C1=O
InChIInChI=1S/C12H14N2O2/c1-2-6-14-7-8-4-3-5-9(11(13)15)10(8)12(14)16/h3-5H,2,6-7H2,1H3,(H2,13,15)
InChIKeyIPJVKKPTQCQECT-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.15
Rot. Bonds3

About 3-oxo-2-propyl-1H-isoindole-4-carboxamide

3-oxo-2-propyl-1H-isoindole-4-carboxamide (PubChem CID 3238600) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-oxo-2-propyl-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name3-oxo-2-propyl-1H-isoindole-4-carboxamide
PubChem CID3238600
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-oxo-2-propyl-1H-isoindole-4-carboxamide
SMILESCCCN1Cc2cccc(C(N)=O)c2C1=O
InChIInChI=1S/C12H14N2O2/c1-2-6-14-7-8-4-3-5-9(11(13)15)10(8)12(14)16/h3-5H,2,6-7H2,1H3,(H2,13,15)
InChIKeyIPJVKKPTQCQECT-UHFFFAOYSA-N
XLogP1.15
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-propyl-1H-isoindole-4-carboxamide?
The IUPAC name of 3-oxo-2-propyl-1H-isoindole-4-carboxamide (CID 3238600) is 3-oxo-2-propyl-1H-isoindole-4-carboxamide.
What is the SMILES notation for 3-oxo-2-propyl-1H-isoindole-4-carboxamide?
The canonical SMILES for 3-oxo-2-propyl-1H-isoindole-4-carboxamide is CCCN1Cc2cccc(C(N)=O)c2C1=O.
What is the InChIKey of 3-oxo-2-propyl-1H-isoindole-4-carboxamide?
The InChIKey is IPJVKKPTQCQECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-6-14-7-8-4-3-5-9(11(13)15)10(8)12(14)16/h3-5H,2,6-7H2,1H3,(H2,13,15).
What are the key properties of 3-oxo-2-propyl-1H-isoindole-4-carboxamide?
3-oxo-2-propyl-1H-isoindole-4-carboxamide has a molecular weight of 218.26 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-propyl-1H-isoindole-4-carboxamide is sourced from PubChem (CID 3238600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).